Dendrobine to 3ilw - ISOMERASE

Mr. E Athelin Earldina Shijuvin - 12/01/31

ANP A to 1qzr - ISOMERASE

PREACT_mcopsrahul - 12/01/31

Dendrobine to 2zjt - ISOMERASE

Mr. E Athelin Earldina Shijuvin - 12/01/27

Dendrobine to 2k4x - RIBOSOMAL PROTEIN

Mr. E Athelin Earldina Shijuvin - 12/01/27

Dendrobine to 1xfc - ISOMERASE

Mr. E Athelin Earldina Shijuvin - 12/01/27

Dendrobine to 1p45 - OXIDOREDUCTASE

Mr. E Athelin Earldina Shijuvin - 12/01/27

Molecular interactions between piroxicam and NMDA receptors

ACtivation of NMDA receptors by Piroxicam is reported, which results in excitotoxicity and subsequent neurodegeneration. This condition occurs in neurodegenerative diseases like Huntington\'s disease, Parkinson\'s disease, Cerebral ischemia, etc. Piroxicam is a well documented inhibitor of NMDA\' and a potential drug for such ailmets, especially cerebral ischemia.
Md. Khairujjaman Mazumder - 12/01/26

Inhibition of ACID-SENSING ION CHANNEL 1 (ASIC-1) by Piroxicam: relevance to Cerebral Ischemia

ACID-SENSING ION CHANNEL 1 is linked to ischemic damage. Piroxicam has been reported to inhibit neurodegeneration after cerebral ischemia. This effect of Piroxicam has been linked to inhibition of several proteins by the drug, one of which is ACID-SENSING ION CHANNEL 1. This docking was performed to see the effect of the drug.
The free energy of binding, found after docking, is significant and thus, it can be hypothesised that Piroxicam inhibits the ASIC-1; and therefore prevents neurodegeneration after Cerebral ischemia.
Md. Khairujjaman Mazumder - 12/01/25

p to 3N8V

Piroxicam is predicted to be an inhibitor of cox-1 and cox-2 activity; and hence this docking has been performed between cox-1 and piroxiacam.
Mr. khairujjaman mazumder - 12/01/23

(+-)-Disparlure to PBP2 from 2wcjA

Dr. Yang Yu - 12/01/13

Dendrobine to 1ilw - HYDROLASE

Mr. E Athelin Earldina Shijuvin - 12/01/10

Activity of Indoloquinazolinone alkaloids (Tryptanthrine) against DNA recombination protein RecA [Mycobacterium tuberculosis H37Rv]]

DNA recombination protein RecA [Mycobacterium tuberculosis H37Rv], a protein plays an important role in the growth, regulation, differentiation of tuberculosis and is considered an important therapeutic target against Mycobacterium tuberculosis. In this study we made in silico attempt to see the efficacy to known natural Indoloquinazolinone alkaloids compound Tryptanthrine against RecA [Mycobacterium tuberculosis H37Rv].
Mr. Ankit Tripathi - 12/01/09

tryptanthrine to RecA

Rec A, a protein plays an important role in the growth of tuberculosis, regulation and differentiation and is considered an important therapeutic target against Mycobacterium tuberculosis. In this study we made in silico attempt to see the efficacy to known natural alkaloids compound Tryptanthrine against RecA.
Mr. Ankit Tripathi - 12/01/07

ani oda to ani

Dr. Anil Kumar - 12/01/04

compound 8 to 2WWG

Dr. Mahmoud Kandeel - 12/01/01

c9 to 2WWG

Dr. Mahmoud Kandeel - 12/01/01

kato compound 4 to 2WWG

Dr. mahmoud kandeel - 11/12/31

Antineoplaston to HSP 70 ATP Binding

Mr. Maulik Rachh - 11/12/20

Andrographoloid to HSP 70 ATP Binding

Mr. Maulik Rachh - 11/12/20

1-[(1S,2R)-4-fluoro-1,2-diphenylbutyl]-4-(fluoromethoxy)benzene to 1ere - NUCLEAR RECEPTOR

Mr. PUNEET MISHRA - 11/12/18

Dendrobine to 1ilw - HYDROLASE

Mr. E Athelin Earldina Shijuvin - 11/12/07

<b>Nobiline</b>, 6-hydroxy- to 1olo - TRANSCRIPTION

Mr. E Athelin Earldina Shijuvin - 11/11/28

<b>Nobiline</b>, 6-hydroxy- to 1ilw - HYDROLASE

Mr. E Athelin Earldina Shijuvin - 11/11/28

Dendrobine to 2jmp - DNA BINDING PROTEIN

Mr. E Athelin Earldina Shijuvin - 11/11/22

lead cpd to 2piq - HORMONE RECEPTOR

uduak anthony - 11/11/07

3Q5G to 1YFE9

Ms. aishaaziz khan - 11/11/05

1IUC to 1YFE9

Mrs. aisha ikram - 11/11/05

1MN9 to 1YFE1

Ms. aisha aziz - 11/11/05

DVR6 to 1w66 - TRANSFERASE

Mr. Madhankumar Anandhakrishnan - 11/11/04

PCC3 to Patchoulol Synthase

Dr. Christopher Pirie - 11/11/01

1tub to CDKI10

Ms. aisha ghani - 11/11/01

1tub to CDKI10

Ms. aisha ghani - 11/11/01

carbon to 1uv5 - TRANSFERASE

Yongjun Jiang - 11/10/25

3HWN to 1HLB16

Mrs. aisha ikram - 11/10/19

2KO7. to 1HLB16

Ms. aishaaziz khan - 11/10/19

130581.mol to CDKI10

Ms. aisha ghani - 11/10/17

Bleomycin Hydrolase(protective agent against antitumor drug)

Mrs. aisha ikram - 11/10/13

FIH_inhibitor wo FE to 1MZF

Leah Tribbey - 11/10/12

2KO7 to 1HLB24

Mrs. aisha ikram - 11/10/12

docetaxol

Ms. aisha ghani - 11/10/11

1cqe.ent docking to non structural 3 protease of dengue virus genome

using the molecular docking online server,a ligand consisting of sugar ring has been docked to a non structural serine protease of dengue virus via in-silico prediction.
Ms. madeeha najeeb - 11/10/07

gk3a to 3jwd - VIRAL PROTEIN

Mr. dev prakash - 11/10/07

gk2 to 3jwd - VIRAL PROTEIN

Mr. dev prakash - 11/10/07

gk6f_2 to 2d82 - Transferase

Mr. Prashant Sharma - 11/10/07

Abacavir [INN] to TLR8

Test
Dr. Iain MacLeod - 11/10/06

l4e8bee5c09f5a to r4e8bee5c09f5a

Ms. aisha ghani - 11/10/06

sample_drug to acrylamide

nav syd - 11/10/04

sample_drug to acrylamide

nav syd - 11/10/04

l4e1fcf7d1c0a2 to r4e1fcf7d1c0a2

Ms. aisha ghani - 11/09/30

VUAA1 to 2erbA

Dr. George Tzotzos - 11/09/30

l4e1fcf7d1c0a2 to r4e1fcf7d1c0a2

Ms. aisha ghani - 11/09/29

taxol to p14ARF

Ms. aisha ghani - 11/09/27

Kryptofix 222 to 1emn - MATRIX PROTEIN

Mr. FAIZAN ANWER - 11/09/20

DARUNAVIR-ORIGINAL to 1odw

DARUNAVIR-ORIGINAL to 1ODW
Mr. AMITABH JAYASWAL - 11/09/20

Darunavir7=105ofLIST to 1odw

Darunavir7=105ofLIST to 1odw
Mr. AMIT JAYASWAL - 11/09/15

Docking analysis of TMC278

Molecular docking study of TMC278, a anti-retroviral drug on HIV-RT. Present study were carried out to get insight about the probable binding mode and its interaction with the receptor.
Dr. Udaya Pratap Singh - 11/09/10

L-Norleucine to 1i1l - TRANSFERASE

Ms. Xuejing Yu - 11/09/09

L-Norleucine to 1i1l - TRANSFERASE

Ms. Xuejing Yu - 11/09/09

Darunavir6=94ofLIST to 1odw

Darunavir6=94ofLIST to 1odw
Mr. AMIT JAYASWAL - 11/09/09

Darunavir5=91ofLIST to 1odw

Darunavir5=91ofLIST to 1odw
Mr. AMIT JAYASWAL - 11/09/09

Darunavir4=57ofLIST to 1odw

Darunavir4=57ofLIST to 1odw
Mr. Amit Jayaswal - 11/09/09

Darunavir3=52ofLIST to 1odw

Darunavir3=52ofLIST to 1odw
Mr. Amit Jayaswal - 11/09/09

Darunavir2=28ofLIST to 1odw

Darunavir2=28ofLIST to 1odw
Mr. AMITABH JAYASWAL - 11/09/09

Darunavir1=23ofLIST&#39; to 1odw

Darunavir1=23ofLIST\' with 1odw
Mr. AMITABH JAYASWAL - 11/09/09

10c to 2BQ2_clean

johnson06 - 11/09/08

L-Norleucine to 1i1l - TRANSFERASE

Ms. Xuejing Yu - 11/09/08

11c to 2xkk - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/06

11c to 2xct - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/06

11c to 1ynn - TRANSFERASE

johnson06 - 11/09/05

11b to 3qx3

johnson06 - 11/09/05

11b to 2xkk - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

11b to 2xct - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

11b to 1ynn - TRANSFERASE

johnson06 - 11/09/05

10c to 3qx3

johnson06 - 11/09/05

10c to 2xkk - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

10c to 2xct - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

10c to 1ynn - TRANSFERASE

johnson06 - 11/09/05

10b to 3qx3

johnson06 - 11/09/05

10b to 2xkk - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

10a to 2xct - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

CPF G to 2xct - ISOMERASE / DNA / ANTIBIOTIC

johnson06 - 11/09/05

4g to 2BQ2_clean

johnson06 - 11/09/02

4f to 2BQ2_clean

johnson06 - 11/09/02

4e to 2BQ2_clean

johnson06 - 11/09/02

4d to 2BQ2_clean

johnson06 - 11/09/02

4c to 2BQ2_clean

johnson06 - 11/09/02

4b to 2BQ2_clean

johnson06 - 11/09/02

24c to 2BQ2_clean

johnson06 - 11/09/02

24b to 2BQ2_clean

johnson06 - 11/09/02

24a to 2BQ2_clean

johnson06 - 11/09/02

23 to 2BQ2_clean

johnson06 - 11/09/02

22c to 2BQ2_clean

johnson06 - 11/09/02

22b to 2BQ2_clean

johnson06 - 11/09/02

22a to 2BQ2_clean

johnson06 - 11/09/02

21 to 2BQ2_clean

johnson06 - 11/09/02

20e to 2BQ2_clean

johnson06 - 11/09/02

20d to 2BQ2_clean

johnson06 - 11/09/02

20d to 2BQ2_clean

johnson06 - 11/09/02

20c to 2BQ2_clean

johnson06 - 11/09/02

20b to 2BQ2_clean

johnson06 - 11/09/02

20a to 2BQ2_clean

johnson06 - 11/09/02

16 to 2BQ2_clean

johnson06 - 11/09/02

11b to 2BQ2_clean

johnson06 - 11/09/02

10b to 2BQ2_clean

johnson06 - 11/09/02

Basic Azaindole to Thrombin Chain H

Dr. Takeyce Whittingham - 11/08/09

1-Methyladenosine to ABH4_SWISS MODEL structure

Mr. sreevardhanreddy gayam - 11/08/08

tclcactvs000SuFUzg to 3nu4

Mr. Western Mpofu - 11/08/04

tclcactvs000HODRV9 to 5nu0. pdb

Mr. Western Mpofu - 11/08/03

Zana to H5N1

Nobody - 11/08/01

Quercetin content to qOMT

Jian-Min Zhou - 11/07/06

DHA to GlyDH G.stearo con glicerol

Mr. Javier Rocha Martín - 11/07/01

<b>Bromocresol purple</b> to Bovine serum Albumin

Mr. Maulik Rachh - 11/06/30

<b>Bromocresol purple</b> to Human Serum Albumin

Mr. Maulik Rachh - 11/06/30

obj01 to 2irv - MEMBRANE PROTEIN

Ms. Janet Gonzalez - 11/06/29

2 hydroxybenzylamine to 3m6b - HYDROLASE

Ms. Janet Gonzalez - 11/06/25

2-Methoxy-4-prop-2-enylphenol to 2x0u - CELL CYCLE

eugenol
Mrs. Renu Prakash - 11/06/05

S-palmitoylcysteine to 2D3Jmod

Laszlo Banyai - 11/05/30

PRZ_1 to 2P70_PRZ2

Dr. George Tzotzos - 11/05/28

PRZ_1 to 2P70_PRZ1

Dr. George Tzotzos - 11/05/28

PRZ_1 to 2P70_apo

Dr. George Tzotzos - 11/05/28

TPO E to 3O6K

Mr. Satyateja Ratnakaram - 11/05/27

7TAAligando to 7TAAprotein

Filipa Afonso - 11/05/26

ligando 1LPO to 1LPO

Mrs. Sofia Teixeira - 11/05/26

ngt to model1HexsubA

Protein interaction between HexsubA and NGT was calculated.
Johanas - 11/05/26

saquinavir=out to 1ODW POLAR REDO Triple 25D-T, 26T-E, 29D-S

Mr. AMITABH JAYASWAL - 11/05/14

x to 1ODW POLAR REDO Triple 25D-T, 26T-E, 29D-SBCHAINnew

Mr. AMITABH JAYASWAL - 11/05/14

saquinavir=out to 1ODW POLAR REDO Triple 25D-T, 26T-E, 29D-SBCHAIN-new

Mr. AMITABH JAYASWAL - 11/05/14

x to 1ODW POLARREDO Single25D-T/BCHAIN

Amitabh Jayaswal - 11/05/14

saquinavir=out to 1ODW POLAR REDO Double 25D-T, 26T-E/BCHAIN

AMIT JAYASWAL - 11/05/12

x to 1ODW POLAR REDO Double 25D-T, 26T-E/BCHAIN

AMITABH JAYASWAL - 11/05/12

saquinavir=out to 1ODW POLAR REDO Double 25D-T, 26T-E/BCHAIN

AMITABH JAYASWAL - 11/05/12

saq to 1ODW POLARREDO Single25D-T/BCHAIN

Amitabh Jayaswal - 11/05/12

K to 1odwNativeBchain

Mr. AMITABH JAYASWAL - 11/05/10

saq to 1odwNativeBchain

Mr. AMITABH JAYASWAL - 11/05/10

saquinavir=out to 1odw_h_3mBchain

Mr. AMITABH JAYASWAL - 11/05/09

x to 1odw_h_2mBchain

Amitabh Jayaswal - 11/05/09

saquinavir=out to 1odw_h_2mBchain

Amitabh Jayaswal - 11/05/09

x to 1odw1mBchain

Amitabh Jayaswal - 11/05/09

nys to ftase15

Mr. Edwin Rodriguez - 11/05/04

Adenosine monophosphate to 2p2f - LIGASE

Mr. Nishikant Wase - 11/05/03

CID_5816 to 3FXY

Mr. Gurucharan Nayak - 11/04/29

geniesten to 2H7H

INHIBIT THE EXPRESSION OF TUMOR SUPRESSOR GENE.AND DOWN REGULATE THE EXPRESSION OF 2H7H PROTEIN.
Mr. Rishi kumar - 11/04/22

701 to 3ihy - TRANSFERASE

Kevin Fd - 11/04/18

saquinavir=out to 1ODW POLAR REDO Triple 25D-T, 26T-E, 29D-S

Polar Mutants
Mr. AMITABH JAYASWAL - 11/04/12

x to 1ODW POLAR REDO Triple 25D-T, 26T-E, 29D-S

Polar Mutants
Mr. AMITABH JAYASWAL - 11/04/12

K to 1ODW POLARREDO Single25D-T

Polar Mutants
Mr. AMITABH JAYASWAL - 11/04/12

x to 1ODW POLAR REDO Double 25D-T, 26T-E

Polar Mutants
Amitabh Jayaswal - 11/04/12

x to 1ODW POLARREDO Single25D-T

Polar Mutations
Mr. AMITABH JAYASWAL - 11/04/12

BRMOLDYN to 3C0Y

Mr. suny sharma - 11/04/05

BRMOLDYN to 1R5K

Mr. suny sharma - 11/04/05

BRMOLDYN to 1POI

Mr. soumya sharma - 11/04/05

BRMOLDYN to 1IMBa

Mr. soumya sharma - 11/04/05

ohmoldyn to acetyl

Mr. rahul sharma - 11/04/04

nh2moldyn to acetyl

Mr. rahul sharma - 11/04/04

hmoldyn to acetyl

Mr. sunny sharma - 11/04/04

fmoldyn to acetyl

Mr. sunny sharma - 11/04/04

clmoldyn to acetyl

Mr. shahrukh khan - 11/04/04

CCL3MOLDYN to acetyl

Mr. shahrukh khan - 11/04/04

cf3moldyn to acetyl

Jagmohan sharma - 11/04/04

BRMOLDYN to acetyl

Jagmohan sharma - 11/04/04

ana4moldyn to acetyl

Jagmohan sharma - 11/04/03

ana3moldyn to acetyl

Jagmohan sharma - 11/04/03

galamoldyn to acetyl

Jagmohan sharma - 11/04/03

ChEBI_16238.mol to model1 (1)

Ann Stapleton - 11/04/02

x to 1odw_h_2m

AMITABH JAYASWAL - 11/04/02

x to 1odw_h_3m

Mr. AMITABH JAYASWAL - 11/04/02

5-Lo Inhibitor to 3O8Y (2)

Tristan Bullard - 11/04/01

X1P to StPGM 2

Mr. Kevin Yin - 11/04/01

Inhibitor to StPGM 2

Mr. Kevin Yin - 11/04/01

G1P to StPGM 2

Mr. Kevin Yin - 11/04/01

Zileuton to 5-LO

Mr. Tristan Bullard - 11/04/01

folic acid to hDHFR

Emerson Marinas - 11/03/31

dhfr i to hDHFR

Emerson Marinas - 11/03/31

dhfr i to hDHFR

Emerson Marinas - 11/03/31

Inhibitor to StPGM

Mr. Kevin Yin - 11/03/30

cf3moldyn to 3C0Y

Mr. mika sharma - 11/03/29

cf3moldyn to 1R5K

Mr. mika sharma - 11/03/29

cf3moldyn to 1POI

Mr. sunny sharma - 11/03/29

cf3moldyn to 1IMBa

Mr. sunny sharma - 11/03/29

rivasmoldyn to ACETYL

Mr. suny sharma - 11/03/29

ana1moldyn to ACETYL

Mr. suny sharma - 11/03/29

ana7moldyn to acetyl

Mr. soumya sharma - 11/03/29

ana6moldyn to acetyl

Mr. deepak sharma - 11/03/29

ana3moldyn to acetyl

Jagmohan sharma - 11/03/29

ohmoldyn to ACETYL

Mr. rahul sharma - 11/03/29

nh2moldyn to acetyl

Mr. sam sharma - 11/03/29

Hmoldyn to acetyl

Mr. shashi sharma - 11/03/28

fmoldyn to acetyl

Mr. shashi sharma - 11/03/28

moldyncl to acetyl

Mr. sam sharma - 11/03/28

mincf3 to acetyl

Mr. shahrukh khan - 11/03/28

26175 to acetyl

Mr. sunny sharma - 11/03/28

21993 to acetyl

Mr. shashi sharma - 11/03/28

2BB3 Assignment Inhibitor try 2.mol to 1gos - OXIDOREDUCTASE

Dessi Loukov - 11/03/27

CID <b>444926</b> to pdb4cms.ent

Mr. Asim Soomro - 11/03/27

2BB3 Assignment Inhibitor.mol to 1gos - OXIDOREDUCTASE

Dessi Loukov - 11/03/26

water inhi to 3OXC

Ms. Bingqing Li - 11/03/25

bilal3 to Src1

Bilal Bagha - 11/03/23

bilal2 to Src1

Bilal Bagha - 11/03/23

bilal1 to Src1

Bilal Bagha - 11/03/23

bom to 1dqe_HOH

Dr. George Tzotzos - 11/03/23

bom to 1dqe_HOH

Dr. George Tzotzos - 11/03/23

H8H A to Src1

Bilal Bagha - 11/03/23

DJK A to Src1

Bilal Bagha - 11/03/23

Anilinoquinazalone to Src1

Bilal Bagha - 11/03/23

Shash Ligand 5 to Edited

Shash D - 11/03/22

Alcofenac+ Me to 1PRH

Mrs. Christina Valve - 11/03/22

L4 to 2ace - SERINE HYDROLASE

Steven Zhao - 11/03/21

Arachidonic Acid to 1PRH

Ms. Christina Valve - 11/03/20

ncc1 to model1 (1)

Ann Stapleton - 11/03/17

H to ACETYL

Mr. suny sharma - 11/03/16

F to ACETYL

Mr. suny sharma - 11/03/16

OH to ACETYL

Mr. shashi sharma - 11/03/16

NH2 to ACETYL

Mr. shashi sharma - 11/03/16

cf3 to ACETYL

Mr. ghasi sharma - 11/03/16

cl to ACETYL

Mr. soumya sharma - 11/03/16

bombykol to MsexPBP1_fixed

Dr. George Tzotzos - 11/03/06

bombykal to MsexPBP1_fixed

Dr. George Tzotzos - 11/03/06

bombykol to MsexGOBP2_fixed

Dr. George Tzotzos - 11/03/06

bombykal to MsexGOBP2_fixed

Dr. George Tzotzos - 11/03/06

benzaldehyde to 1ooh_fixed

Dr. George Tzotzos - 11/03/05

NPN to 2erb

Dr. George Tzotzos - 11/03/05

NPN to 3k1e

Dr. George Tzotzos - 11/03/05

bombykol to MsexPBP1_fixed

Dr. George Tzotzos - 11/03/05

bombykal to MsexPBP1_fixed

Dr. George Tzotzos - 11/03/05

3_propylphenol to 2erbAB

Dr. George Tzotzos - 11/03/04

3_propylphenol to 3ognAB

Dr. George Tzotzos - 11/03/04

3_propylphenol to 3k1eAB

Dr. George Tzotzos - 11/03/04

3_propylphenol to 2erbAB

Dr. George Tzotzos - 11/03/03

3_propylphenol to 3k1eAB

Dr. George Tzotzos - 11/03/03

indole to 3ognAB

Dr. George Tzotzos - 11/03/03

indole to 3k1eAB

Dr. George Tzotzos - 11/03/03

indole to 2erbAB

Dr. George Tzotzos - 11/03/03

caryophillene to GmmOBP14_fixed

Dr. George Tzotzos - 11/03/02

benzaldehyde to 1ooh_fixed

Dr. George Tzotzos - 11/03/02

benzaldehyde to 1ooh_fixed

Dr. George Tzotzos - 11/03/02

NPN to 3k1e

Dr. George Tzotzos - 11/03/02

benzylalcohol to 3ogn

Dr. George Tzotzos - 11/03/02

benzaldehyde to 3k1e

Dr. George Tzotzos - 11/03/02

benzaldehyde to 1dqe

Dr. George Tzotzos - 11/03/02

NPN to 2erb

Dr. George Tzotzos - 11/02/27

NPN to 2erb

Dr. George Tzotzos - 11/02/27

NPN to 1ooh_fixed

Dr. George Tzotzos - 11/02/26

NPN to 1ooh_fixed

Dr. George Tzotzos - 11/02/25

NPN to 1dqe

Dr. George Tzotzos - 11/02/25

nerol to 3ogn

Dr. George Tzotzos - 11/02/25

nerol to 3k1e

Dr. George Tzotzos - 11/02/25

nerol to 2wc6

Dr. George Tzotzos - 11/02/25

nerol to 2erb

Dr. George Tzotzos - 11/02/25

nerol to 1ooh_fixed

Dr. George Tzotzos - 11/02/25

meth_sal to 3ogn

Dr. George Tzotzos - 11/02/25

meth_sal to 3ogn

Dr. George Tzotzos - 11/02/25

meth_sal to 2erb

Dr. George Tzotzos - 11/02/25

deet to 1dqe

Dr. George Tzotzos - 11/02/25

DB00989 to ACETYL

Mr. jagmohan sharma - 11/02/22

DB00382 to ACETYL

Mr. jagmohan sharma - 11/02/22

benzaldehyde to 3k1e

Dr. George Tzotzos - 11/02/22

benzaldehyde to 1dqe

Dr. George Tzotzos - 11/02/22

benzaldehyde to 1dqe

Dr. George Tzotzos - 11/02/22

3_propylphenol to 3ogn

Dr. George Tzotzos - 11/02/22

1octen3ol to 3ogn

Dr. George Tzotzos - 11/02/22

1octen3ol to 3k1e

Dr. George Tzotzos - 11/02/22

1octen3ol to 2erb

Dr. George Tzotzos - 11/02/22

1octen3ol to 1ooh_fixed

Dr. George Tzotzos - 11/02/22

TPP to 2pyu - HYDROLASE

Dr. Babho Devadoss - 11/02/22

nerol to 2erb

Dr. George Tzotzos - 11/02/21

nerol to 2erb

Dr. George Tzotzos - 11/02/21

nerol to 2erb

Dr. George Tzotzos - 11/02/21

nerol to 2erb

Dr. George Tzotzos - 11/02/21

nerol to 1dqe

Dr. George Tzotzos - 11/02/21

deet to 2erb

Dr. George Tzotzos - 11/02/21

benzylalcohol to 3k1e

Dr. George Tzotzos - 11/02/21

benzylalcohol to 2erb

Dr. George Tzotzos - 11/02/21

benzylalcohol to 1ooh_fixed

Dr. George Tzotzos - 11/02/21

a_farnesene to 2wc6

Dr. George Tzotzos - 11/02/21

3og to 3ogn

Dr. George Tzotzos - 11/02/19

3og to 3k1e

Dr. George Tzotzos - 11/02/19

3og to 2wc6

Dr. George Tzotzos - 11/02/19

3og to 2erb

Dr. George Tzotzos - 11/02/19

3og to 1ooh_fixed

Dr. George Tzotzos - 11/02/19

3og to 1dqe

Dr. George Tzotzos - 11/02/19

bom to 1ooh_fixed

Dr. George Tzotzos - 11/02/19

bom to 3ogn

Dr. George Tzotzos - 11/02/19

DB00674 to delta

Mr. soumya sharma - 11/02/17

DB00674 to delta2bg9

Mr. sunny sharma - 11/02/17

DB00674 to alfa

Mr. sunny sharma - 11/02/17

DB00674 to alfa

Mr. deepak sharma - 11/02/17

DB00674 to beta

Mr. deepak sharma - 11/02/17

DB00674.mol to 3C0Y

Mr. shahrukh khan - 11/02/17

DB00674.mol to 1R5K

Mr. shahrukh khan - 11/02/17

DB00674 to 1POInew

Mr. sam sharma - 11/02/17

DB00674 to 1POI

Mr. sam sharma - 11/02/17

DB00674.mol to ACETYL

Mr. rahul sharma - 11/02/17

DB00674.mol to 3C0Y

Mr. rahul sharma - 11/02/17

galantamine to 1IMBa

Jagmohan sharma - 11/02/17

Galantamine to 2CLJ

Jagmohan sharma - 11/02/16

bom to 3k1e

Dr. George Tzotzos - 11/02/16

bom to 1dqe

Dr. George Tzotzos - 11/02/16

bom to 2erb

Dr. George Tzotzos - 11/02/15

bom to 2wc6

Dr. George Tzotzos - 11/02/15

deet to 2wc6

Dr. George Tzotzos - 11/02/11

E-b-caryophyllene.mol2 to 2wc6

Dr. George Tzotzos - 11/02/11

a-humulene.mol2 to 2wc6

Dr. George Tzotzos - 11/02/11

bom to 1ooh_fixed

Dr. George Tzotzos - 11/02/11

NPN to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

nerol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

meth_sal to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

linalool to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

indole to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

geraniol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

gamma-caryo.mol2 to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

epoxycaryo.mol2 to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

E-b-caryophyllene.mol2 to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

deet to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

caryophillene to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

benzylalcohol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

benzaldehyde to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

a_farnesene to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

a-humulene.mol2 to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

4methylphenol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

3_propylphenol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

3og to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

1octen3ol to 1ooh_fixed

Dr. George Tzotzos - 11/02/10

NPN to 3ogn

Dr. George Tzotzos - 11/02/10

nerol to 3ogn

Dr. George Tzotzos - 11/02/10

meth_sal to 3ogn

Dr. George Tzotzos - 11/02/10

linalool to 3ogn

Dr. George Tzotzos - 11/02/10

indole to 3ogn

Dr. George Tzotzos - 11/02/10

geraniol to 3ogn

Dr. George Tzotzos - 11/02/10

gamma-caryo.mol2 to 3ogn

Dr. George Tzotzos - 11/02/10

epoxycaryo.mol2 to 3ogn

Dr. George Tzotzos - 11/02/10

E-b-caryophyllene.mol2 to 3ogn

Dr. George Tzotzos - 11/02/10

deet to 3ogn

Dr. George Tzotzos - 11/02/10

caryophillene to 3ogn

Dr. George Tzotzos - 11/02/10

benzylalcohol to 3ogn

Dr. George Tzotzos - 11/02/10

benzaldehyde to 3ogn

Dr. George Tzotzos - 11/02/10

a_farnesene to 3ogn

Dr. George Tzotzos - 11/02/10

a-humulene.mol2 to 3ogn

Dr. George Tzotzos - 11/02/10

4methylphenol to 3ogn

Dr. George Tzotzos - 11/02/10

3_propylphenol to 3ogn

Dr. George Tzotzos - 11/02/10

3og to 3ogn

Dr. George Tzotzos - 11/02/10

1octen3ol to 3ogn

Dr. George Tzotzos - 11/02/10

NPN to 3k1e

Dr. George Tzotzos - 11/02/09

nerol to 3k1e

Dr. George Tzotzos - 11/02/09

meth_sal to 3k1e

Dr. George Tzotzos - 11/02/09

linalool to 3k1e

Dr. George Tzotzos - 11/02/09

indole to 3k1e

Dr. George Tzotzos - 11/02/09

geraniol to 3k1e

Dr. George Tzotzos - 11/02/09

gamma-caryo.mol2 to 3k1e

Dr. George Tzotzos - 11/02/09

epoxycaryo.mol2 to 3k1e

Dr. George Tzotzos - 11/02/09

E-b-caryophyllene.mol2 to 3k1e

Dr. George Tzotzos - 11/02/09

deet to 3k1e

Dr. George Tzotzos - 11/02/09

deet to 3k1e

Dr. George Tzotzos - 11/02/09

caryophillene to 3k1e

Dr. George Tzotzos - 11/02/09

bom to 3k1e

Dr. George Tzotzos - 11/02/09

benzylalcohol to 3k1e

Dr. George Tzotzos - 11/02/09

benzaldehyde to 3k1e

Dr. George Tzotzos - 11/02/09

a_farnesene to 3k1e

Dr. George Tzotzos - 11/02/09

a-humulene.mol2 to 3k1e

Dr. George Tzotzos - 11/02/09

4methylphenol to 3k1e

Dr. George Tzotzos - 11/02/09

3_propylphenol to 3k1e

Dr. George Tzotzos - 11/02/09

3og to 3k1e

Dr. George Tzotzos - 11/02/09

1octen3ol to 3k1e

Dr. George Tzotzos - 11/02/09

NPN to 2erb

Dr. George Tzotzos - 11/02/09

nerol to 2erb

Dr. George Tzotzos - 11/02/09

meth_sal to 2erb

Dr. George Tzotzos - 11/02/09

linalool to 2erb

Dr. George Tzotzos - 11/02/09

indole to 2erb

Dr. George Tzotzos - 11/02/09

geraniol to 2erb

Dr. George Tzotzos - 11/02/09

gamma-caryo.mol2 to 2erb

Dr. George Tzotzos - 11/02/09

epoxycaryo.mol2 to 2erb

Dr. George Tzotzos - 11/02/09

E-b-caryophyllene.mol2 to 2erb

Dr. George Tzotzos - 11/02/09

deet to 2erb

Dr. George Tzotzos - 11/02/08

caryophillene to 2erb

Dr. George Tzotzos - 11/02/08

bom to 2erb

Dr. George Tzotzos - 11/02/08

benzylalcohol to 2erb

Dr. George Tzotzos - 11/02/08

benzaldehyde to 2erb

Dr. George Tzotzos - 11/02/08

a_farnesene to 2erb

Dr. George Tzotzos - 11/02/08

a-humulene.mol2 to 2erb

Dr. George Tzotzos - 11/02/08

4methylphenol to 2erb

Dr. George Tzotzos - 11/02/08

3_propylphenol to 2erb

Dr. George Tzotzos - 11/02/08

3og to 2erb

Dr. George Tzotzos - 11/02/08

1octen3ol to 2erb

Dr. George Tzotzos - 11/02/08

nerol to 2wc6

Dr. George Tzotzos - 11/02/06

meth_sal to 2wc6

Dr. George Tzotzos - 11/02/06

linalool to 2wc6

Dr. George Tzotzos - 11/02/06

geraniol to 2wc6

Dr. George Tzotzos - 11/02/06

gamma-caryo.mol2 to 2wc6

Dr. George Tzotzos - 11/02/06

epoxycaryo.mol2 to 2wc6

Dr. George Tzotzos - 11/02/06

4methylphenol to 2wc6

Dr. George Tzotzos - 11/02/06

3_propylphenol to 2wc6

Dr. George Tzotzos - 11/02/05

3og to 2wc6

Dr. George Tzotzos - 11/02/05

1octen3ol to 2wc6

Dr. George Tzotzos - 11/02/05

E-b-caryophyllene.mol2 to 1dqe

Dr. George Tzotzos - 11/02/05

meth_sal to 1dqe

Dr. George Tzotzos - 11/02/05

4methylphenol to 1dqe

Dr. George Tzotzos - 11/02/05

3_propylphenol to 1dqe

Dr. George Tzotzos - 11/02/05

1octen3ol to 1dqe

Dr. George Tzotzos - 11/02/05

nerol to 1dqe

Dr. George Tzotzos - 11/02/05

linalool to 1dqe

Dr. George Tzotzos - 11/02/04

geraniol to 1dqe

Dr. George Tzotzos - 11/02/04

gamma-caryo.mol2 to 1dqe

Dr. George Tzotzos - 11/02/04

a-humulene.mol2 to 1dqe

Dr. George Tzotzos - 11/02/04

epoxycaryo.mol2 to 1dqe

Dr. George Tzotzos - 11/02/04

deet to 1dqe

Dr. George Tzotzos - 11/02/04

3og to 1dqe

Dr. George Tzotzos - 11/02/04

3og to 1dqe

Dr. George Tzotzos - 11/02/04

deet to 3ogn

Dr. George Tzotzos - 11/01/25

deet to 3k1e

Dr. George Tzotzos - 11/01/25

deet to 2wc6

Dr. George Tzotzos - 11/01/25

deet to 1dqe

Dr. George Tzotzos - 11/01/25

NPN to 3ogn

Dr. George Tzotzos - 11/01/25

indole to 3ogn

Dr. George Tzotzos - 11/01/25

caryophillene to 3ogn

Dr. George Tzotzos - 11/01/25

NPN to 3k1e

Dr. George Tzotzos - 11/01/25

indole to 3k1e

Dr. George Tzotzos - 11/01/25

caryophillene to 3k1e

Dr. George Tzotzos - 11/01/25

ligand to kir2.1

Dr. Dev Singh - 11/01/24

ligand to KirBac1.1 tetramer

Dr. Dev Singh - 11/01/24

NPN to 2wc6

Dr. George Tzotzos - 11/01/23

indole to 2wc6

Dr. George Tzotzos - 11/01/23

caryophillene to 2wc6

Dr. George Tzotzos - 11/01/23

NPN to 2erb

Dr. George Tzotzos - 11/01/23

indole to 2erb

Dr. George Tzotzos - 11/01/23

NPN to 1dqe

Dr. George Tzotzos - 11/01/23

benzylalcohol to 2wc6

Dr. George Tzotzos - 11/01/23

benzylalcohol to 1dqe

Dr. George Tzotzos - 11/01/23

benzaldehyde to 2wc6

Dr. George Tzotzos - 11/01/23

benzaldehyde to 1dqe

Dr. George Tzotzos - 11/01/23

a_farnesene to 2wc6

Dr. George Tzotzos - 11/01/23

a_farnesene to 1dqe

Dr. George Tzotzos - 11/01/23

indole to 1dqe

Dr. George Tzotzos - 11/01/23

caryophillene to 2erb

Dr. George Tzotzos - 11/01/16

caryophillene to 1dqe

Dr. George Tzotzos - 11/01/15

bom to 3ogn

Dr. George Tzotzos - 11/01/15

bom to 3ogn

Dr. George Tzotzos - 11/01/15

bom to 3ogn

Dr. George Tzotzos - 11/01/15

bom to 3k1e

Dr. George Tzotzos - 11/01/15

bom to 2wc6

Dr. George Tzotzos - 11/01/15

bom to 2erb

Dr. George Tzotzos - 11/01/15

bom to 1dqe

Dr. George Tzotzos - 11/01/15

yc-1 to pas-bradaligned

Bradley Fritz - 11/01/14

<b>BAY 41-2272</b> to pas-bradaligned

Bradley Fritz - 11/01/14

ROC to 2cb7THIRD

Mr. AMITABH JAYASWAL - 11/01/12

X to 2cb7SECOND

Mr. AMITABH JAYASWAL - 11/01/12

ROC to 2cb7SECOND

Mr. AMITABH JAYASWAL - 11/01/12

x to IodwFIRST

Ms. neetu singh - 11/01/12

roc to 1odwTHIRD

Ms. neetu singh - 11/01/12

x to 1odwTHIRD

Ms. neetu singh - 11/01/12

NPN to 3k1e

Dr. George Tzotzos - 11/01/11

caryophillene to 3k1e

Dr. George Tzotzos - 11/01/11

indole to 2erb

Dr. George Tzotzos - 11/01/11

NPN to 2erb

Dr. George Tzotzos - 11/01/11

caryophillene to 2erb

Dr. George Tzotzos - 11/01/11

NPN to 2wc6

Dr. George Tzotzos - 11/01/11

caryophillene to 2wc6

Dr. George Tzotzos - 11/01/11

bom to 1dqe

Dr. George Tzotzos - 11/01/11

X to 2cb7THIRD

Mr. AMITABH JAYASWAL - 11/01/11

ROC to 2cb7FIRST

Mr. AMITABH JAYASWAL - 11/01/11

X to 2cb7FIRST

Mr. AMITABH JAYASWAL - 11/01/11

ROC to 1odwSECOND

Mr. AMITABH JAYASWAL - 11/01/11

X to 1odwSECOND

Mr. AMITABH JAYASWAL - 11/01/11

roc to IodwFIRST

Ms. neetu singh - 11/01/11

NPN to 1dqe

Dr. George Tzotzos - 11/01/10

caryophillene to 1dqe

Dr. George Tzotzos - 11/01/10

ampic to hsa

Dr. mahmoud kandeel - 10/12/25

Peroxide to 2f8a - OXIDOREDUCTASE

Stil in Mij
Dr. Elberet Galadriel - 10/12/12

ROC to 1odw

LAST Dock ROC with1ODW
Mr. Surya Jayaswal - 10/12/11

x to 1ODW

1odw with X
Mr. Anurag Jayaswal - 10/12/10

x to 2CB7

DOCKING of X with 2CB7
Mr. Anurag Jayaswal - 10/12/10

dexametasone to domena_A

Ms. Anna Kowalik - 10/11/28

ROC to 2CB7

Mr. AMITABH JAYASWAL - 10/11/25

ROC to 2CB7

ROC-2CB7
Mr. AMITABH JAYASWAL - 10/11/24

(+)-Copalyl diphosphate to 1116B

Mr. ke zhou - 10/11/23

drug_16 to 1H53

Mr. Aditya Padhi - 10/11/16

(+)-Tryptophan to 3bwn - TRANSFERASE

Dr. Javier Brumos - 10/11/03

Chrom-D-Pro-Phe-OMe to 2hrv - HYDROLASE

Dr. Alexey Poyarkov - 10/10/18

CLM to 3CLA

Dr. Giuseppe Ermondi - 10/10/11

viman to 3lpu - VIRAL PROTEIN

viman is the molecule that has found to have antiintegrase activity.this molecule either phosphorylated or aminated with amine,imine or amino acids can increase its activity against different viral enzymes.invitro studies has shown its antiintegrase activity and t-cell proliferation and cytokine enhancing activity.it also elevated gsh levels and control liver dysfunction .further research is going on how this molecule can be modified into other forms and improve its its efficacy.
Mr. hemanth kumar - 10/10/10

C1 to 1m6h - OXIDOREDUCTASE

Dr. Matthew Foster - 10/10/10

c_di_amp to ybbr_dacb

Mr. Matthieu Delince - 10/10/10

LRF to thrombin

Dr. Alexey Poyarkov - 10/10/08

lae to thrombin

Dr. Alexey Poyarkov - 10/10/08

M4_ind.mol to 2abv(5_LOX)

Dr. Veronika Khayrullina - 10/10/01

curcumin to 2H2H

Dr. Palanairajana Vijayarajkumar - 10/09/26

tm to 1RG7DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE

Dr. marwa balaha - 10/09/26

Felodipine to 2vgo - TRANSFERASE

Mr. Neha Kumari - 10/08/23

amlodipine_1_mini to 2vgo - TRANSFERASE

Mr. Neha Kumari - 10/08/23

nitrendipine to 2VGO

Ms. Sudha Rajgadia - 10/08/23

Bipp to 1EXT

Dr. Karthikeyan Sivashanmugam - 10/08/20

3IP5 to 2poo - HYDROLASE

Dr. Ravi Peram - 10/08/18

C-1 to 2wap - HYDROLASE

Mr. ajay nikum - 10/08/17

IP6 to 2poo - HYDROLASE

Dr. Ravi Peram - 10/08/17

IP6 to 2POO

Dr. Ravi Peram - 10/08/17

3IP5 to BSE

Dr. Ravi Peram - 10/08/16

IP6 to BSE

Dr. Ravi Peram - 10/08/16

A Bioinformative study on TEM & CTX - M to 13 - Hexyl - oxa -cyclotridec - 10 - En -2 - one extracted from Andrographis panicualta

The study aimed at docking of TEM & modeled CTX - M by methanol extracted
compounds from Andrographis paniculata and to predict their binding efficiency.
BLAST-P was performed to retrieve suitable templates for homology-modeling using the blaCTX-M sequences obtained from Genbank .Protein Data Bank (PDB) IDs of these templates were retrieved. Models were prepared using Swiss-Model-Server and verified by Procheck and verify3D programmes RAMPAGE was used to prepare Ramachandran plots.
The 13 - Hexyl - oxa - cyclotridec - 10 - En- 2 - one was selected as ligand for this docking study from the data generated by Mass spectrometry analysis of methanol extracted compounds from Andrographis paniculata .The structure was drawn manually with aid of JME and its drug likeliness & molecular properties were calculated using Pre admet server.
Docking was performed by using docking server. Since the docking results proved that the amino acid residues Ser70,Ser 130,Ser237,Arg 276 and Thr235 of CTX-M-15 (enzyme) make important contacts with the ligand, researchers are expected to duly utilize this information for designing more potent and CTX - M inhibitors.
Mumtaj Peer Mohammed (a*) &(a) , Aysha (a) and Dhamotharan(b) - 10/08/13

<b>Nadolol</b> (JP15/USP/INN) to 3dlw - HYDROLASE INHIBITOR

Prudvi Kalyan - 10/08/07

plumbagin CID_10205 to IGF Receptor

Plumbagin (1,4-Naphthalenedione, 5-hydroxy-2-methyl-(9CI)) is a natural bicyclic naphthoquinone found in a number of medicinal plants, including Plumbago europaea, Plumbago rosea, Plumbago zeylanica and Dionaea muscipula (venus fly trap). Plumbago family has outstanding record of accomplishment in ayurvedic medicine and traditionally used for microbial infections, cancer, and rheumatoid arthritis (Mossa et al., 2004, Srinivas et al., 2004, Ding et al., 2005 and Hsu et al., 2006) in Asian continent. In specific, plumbagin like naphthoquinones have been used for these treatments. However, most of these claims are supported only by anecdotal evidence, there are few scientific reports describing their cytotoxic efficacy, and literature suggesting their mechanisms is scarce.
Mr. Prakash Shyam - 10/08/06

plumbagin CID_10205 to IGF Receptor

Mr. Prakash Shyam - 10/08/06

From Corina 7941 to IBTL

INSILICO DOCKING OF 7941 TO IBTL
Ms. MUMTAJ PEER MOHAMMED - 10/08/02

13 - Hexyloxacyclotridec - 10 - EN - 2 - ONE to IBTL

Insilico study on 1BTL To 13 - HExyloacyclotridec - 10 - EN - 2 - ONE
Ms. MUMTAJ PEER MOHAMMED - 10/08/02

C1_AB_A_DAG_1

SB SDGRTA - 10/07/19

C1_AB_B_Ethanol_1

Dr. Anjoy Majhi - 10/07/19

C1_AB_B_octanol_1

sc panchal - 10/07/19

C1_AB_B_SAPD_1

Pany SB - 10/07/19

C1_AB_B_Butanol_2

Pany SB - 10/07/15

C1_AB_B_Butanol_1

Pany SB - 10/07/15

C1_AB_B_Butanol

Pany SB - 10/07/15

C1_AB_A_Ethanol_1

SB SDGRTA - 10/07/15

1 Octanol to robetta-3

Dr. Anjoy Majhi - 10/07/15

1 Octanol to robetta-2

Dr. Anjoy Majhi - 10/07/15

1 Octanol to robetta-1

Dr. Anjoy Majhi - 10/07/15

1 Octanol to robetta-4

Dr. Anjoy Majhi - 10/07/15

C1_AB_A_Butanol_3

Pany SB - 10/07/14

C1_AB_A_Butanol_2

Pany SB - 10/07/14

C1_AB_A_Butanol_1

Pany SB - 10/07/14

Hap-T to 2aqi

------
Mr. Manoj Tripathi - 10/06/24

Hap-T to Model_1

------
Mr. Manoj Tripathi - 10/06/24

PE4 A to 1q74 - HYDROLASE

Neeraja Dwivedi - 10/06/21

3 to 2WA0

3
Mr. Bathula Sreenivas Reddy - 10/06/02

3 to 2WA0

Mr. Bathula Sreenivas Reddy - 10/06/02

2 to 2WA0

2
Mrs. Soujanya Reddy - 10/06/02

<b>AIDS163514</b> to 2HJG

Amrita Bharat - 10/05/29

AIDS163514 to 2HJG

Amrita Bharat - 10/05/29

MAC 809 with YphC

Amrita Bharat - 10/05/28

ADP to WS52

Mr. Cuong Nguyen - 10/05/21

gla3 to 2zmy - OXIDOREDUCTASE / METAL TRANSPORT

Dr. krishnan gopal - 10/05/13

Hydralazine to Amyloid fibrils

Dr. Ian Murray - 10/05/13

carbazochrome to Amyloid fibrils

Dr. Ian Murray - 10/05/13

cid 11643449 to 1SA1

Ms. priyank neha - 10/05/05

cid 11957720 to 1JNM

Ms. shilpi shalini - 10/05/05

DRAWN MOLECULE.mol to 1PAU

Mr. ranjith margam - 10/05/04

ethm_1 to embB_tasser_model2

Mr. neeraj gawde - 10/05/04

atazanavir6 to 1ODW

Ms. shilpi shalini - 10/05/03

tipranavir33+ch3 to 1ODW

Ms. Neha kumari - 10/05/03

tipranavir33 to 1ODW

Ms. Neha kumari - 10/05/03

tipranavir23 to 1odw - COMPLEX (ASPARTYL PROTEASE / PEPTIDE)

Ms. Neha Tekriwal - 10/05/03

tipranavirCHEBI3 to 1odw - COMPLEX (ASPARTYL PROTEASE / PEPTIDE)

Ms. Neha Tekriwal - 10/05/03

atazanavir5 to 1odw - COMPLEX (ASPARTYL PROTEASE / PEPTIDE)

Ms. Neha Tekriwal - 10/05/01

atazanavir1 to 1odw - COMPLEX (ASPARTYL PROTEASE / PEPTIDE)

Ms. Neha Tekriwal - 10/05/01

atazanavir2 to 1ODW

Ms. Neha kumari - 10/05/01

INDINAVIRJ+_NH2 to 1ODW

Ms. shilpi shalini - 10/05/01

indinavirJ to 1ODW

Ms. shilpi shalini - 10/05/01

tipranavir19 to 1ODW

Ms. shilpi shalini - 10/05/01

indinavir to 1ODW

Ms. shilpi shalini - 10/05/01

pyruvate pdf to 2gq3 - TRANSFERASE

pyruvate and malate synthase
Dr. Surya Dwivedi - 10/05/01

oxalate to 2gq3 - TRANSFERASE

oxalate and malate synthase
Dr. Neeraja Dwivedi - 10/05/01

tipranavir16 to 1ODW

Ms. Neha kumari - 10/04/30

tipranavir5 to 1ODW

Ms. shilpi shalini - 10/04/29

tipranavirder14 to 1ODW

Ms. shilpi shalini - 10/04/29

DTT to Gluctathione peroxydase

Dr. Surya Dwivedi - 10/04/29

BME to Gluctathione peroxydase

Dr. Surya Dwivedi - 10/04/28

baicalin3D to 1AGW

Mr. raj kumar - 10/04/28

baicalin3D to 1ADS

Mr. raj kumar - 10/04/28

baicalin3D to 1A25

Mr. raj kumar - 10/04/28

baicalin3D to 121P

Mr. pushkar kumar - 10/04/28

<b>genistein</b> to 1BL7

Mr. pushkar kumar - 10/04/28

<b>genistein</b> to 1B3O

Mr. mohan tudu - 10/04/28

<b>genistein</b> to 1AZM

Mr. mohan tudu - 10/04/28

tipranavirder14 to 1ODW

Ms. Neha kumari - 10/04/28

indinavirJ+OH to 1ODW

Ms. shilpi shalini - 10/04/28

<b>genistein</b> to 1AKF

Mr. saibal kumar - 10/04/28

tipranavir26 to 1ODW

Ms. shilpi shalini - 10/04/28

<b>genistein</b> to 1AA9

Mr. saibal kumar - 10/04/28

bromo to 2gq3 - TRANSFERASE

Dr. Neeraja Dwivedi - 10/04/23

baicalin3D to 1AWK

Mr. pushkar kumar - 10/04/22

7ACA to BpAXE

Dr. Silvia Montoro - 10/04/21

Ginsenoside RG1 to 1RPA

Mr. raj kumar - 10/04/21

Ginsenoside RG1 to 1RMH

Mr. raj kumar - 10/04/21

baicalin3D to 1RPA

Mr. prashant kumar - 10/04/18

baicalin3D to 1YDR

Mr. prashant kumar - 10/04/18

baicalin3D to 2BPF

Mr. raj kumar - 10/04/18

<b>genistein</b> to 1PRG

Mr. raj kumar - 10/04/18

baicalin3D to 1P38

Mr. raj kumar - 10/04/17

baicalin3D to 1MMB

Mr. prashant kumar - 10/04/17

baicalin3D to 1JSU

Mr. prashant kumar - 10/04/17

baicalin3D to 1IRB

Mr. raj kumar - 10/04/17

baicalin3D to 1AWK

Mr. raj kumar - 10/04/17

<b>genistein</b> to 1RTS

Mr. pushkar kumar - 10/04/17

<b>genistein</b> to 1CPJ

Mr. pushkar kumar - 10/04/17

<b>genistein</b> to 1BX7

Mr. mohan tudu - 10/04/17

<b>genistein</b> to 1B3O

Mr. mohan tudu - 10/04/17

<b>genistein</b> to 1BPX

Mr. saibal kumar - 10/04/17

<b>genistein</b> to 1BBZ

Mr. saibal kumar - 10/04/17

<b>genistein</b> to 1A7C

Mr. manoj kumar - 10/04/17

<b>genistein</b> to 1D6N

Mr. manoj kumar - 10/04/17

<b>genistein</b> to 1DB4

Mr. prashant kumar - 10/04/16

<b>genistein</b> to 1D8D

Mr. raj kumar - 10/04/16

<b>genistein</b> to 1DB4

Mr. raj kumar - 10/04/16

<b>genistein</b> to 1RTS

Mr. saibal kumar - 10/04/16

<b>genistein</b> to 1PRG

Mr. saibal kumar - 10/04/16

CID_643981 to tric.B99990005

Ms. Neha Tekriwal - 10/04/15

CID_16667373 to tric.B99990005

Ms. Neha kumari - 10/04/15

CID_10705 to tric.B99990005

Ms. Neha kumari - 10/04/15

chitotriose to tric.B99990005

Ms. sweety tekriwal - 10/04/15

chitooctaose to tric.B99990005

Ms. sweety tekriwal - 10/04/15

chitooctaose to tric.B99990005

Ms. sweety tekriwal - 10/04/14

chitotriose to tric.B99990005

Ms. sweety tekriwal - 10/04/14

CID_10705 to tric.B99990005

Ms. Neha kumari - 10/04/14

chitosan2 to tric.B99990005

chitosan2 to tric.B99990005
neha kumari - 10/04/14

CID_16667373 to tric.B99990005

Ms. Neha kumari - 10/04/14

chitin(crab) to tric.B99990005

Ms. Neha Tekriwal - 10/04/14

CID_643981 to tric.B99990005

Ms. Neha Tekriwal - 10/04/13

CID_643981 to asper.B99990005

Ms. Neha Tekriwal - 10/04/13

chitotriose to asper.B99990005

http://www.dockingserver.com/web/publications/neha@bit/chitosan_to_asper.b99990005
neha kumari - 10/04/13

chitosan to asper.B99990005

neha kumari - 10/04/13

CID_10705 to asper.B99990005

Ms. sweety tekriwal - 10/04/13

CID_16667373 to asper.B99990005

Ms. Neha kumari - 10/04/13

chitin(crab) to asper.B99990005

Ms. Neha kumari - 10/04/13

CID_10705 to asper.B99990005

Ms. sweety tekriwal - 10/04/13

chitooctaose to asper.B99990005

Mr. Kumar Abhinav - 10/04/13

chitosan2 to asper.B99990005

Mr. Kumar Abhinav - 10/04/13

CID_10705 to asper.B99990005

Ms. sweety tekriwal - 10/04/13

CID_16667373 to asper.B99990005

Ms. Neha kumari - 10/04/13

chitosan2 to asper.B99990005

Mr. Kumar Abhinav - 10/04/13

chitin(crab) to asper.B99990005

Mr. Kumar Abhinav - 10/04/13

DRAWN MOLECULE.mol to 1PAU

Mr. ranjith margam - 10/04/09

chitooctaose to asper.B99990005

Mr. Kumar Abhinav - 10/04/08


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